1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside (CHEBI:67941)

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CHEBI:67941 - 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside

ChEBI ID	CHEBI:67941
ChEBI Name	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside
Stars
ASCII Name	1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside
Definition	A triterpenoid saponin that is olean-12-ene attached to hydroxy groups at positions 3 and 23, oxo groups at positions 1 and 28 and a β-D-glucopyranosyloxy group at position 28. It has been isolated from the leaves and twigs of Juglans sinensis.
Last Modified	16 January 2014
Downloads	Molfile

Formula	C36H56O10
Net Charge	0
Average Mass	648.834
Monoisotopic Mass	648.38735
SMILES	[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C(=O)C[C@H](O)[C@@]1(C)CO
InChI	InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1
InChIKey	WDPGVNDSNNDCOT-CRIWHUKNSA-N

Species of Metabolite	Component	Source	Comments
Juglans sinensis (ncbitaxon:442437-1)
	twig (BTO:0001411)	PubMed (21309591)	80% Methanolic extract of dried leaves and twigs
	leaf (BTO:0000713)	PubMed (21309591)	80% Methanolic extract of dried leaves and twigs

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) has parent hydride oleanane (CHEBI:36481)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) has role plant metabolite (CHEBI:76924)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a carboxylic ester (CHEBI:33308)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a cyclic terpene ketone (CHEBI:36130)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a monosaccharide derivative (CHEBI:63367)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a pentacyclic triterpenoid (CHEBI:25872)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a triterpenoid saponin (CHEBI:61778)
	1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside (CHEBI:67941) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
1-O-[3β,23-dihydroxy-1,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose

Registry Numbers	Sources
Reaxys:21448539	Reaxys

Citations